N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride

C16H19Cl2NO — CID 17290789

IUPACN-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
SMILESCCNCc1cccc(OCc2ccccc2Cl)c1.Cl
InChIInChI=1S/C16H18ClNO.ClH/c1-2-18-11-13-6-5-8-15(10-13)19-12-14-7-3-4-9-16(14)17;/h3-10,18H,2,11-12H2,1H3;1H
InChIKeyHCRZVSBODZWBMJ-UHFFFAOYSA-N
MW312.24 g/mol
LogP4.45
Rot. Bonds6

About N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride

N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride (PubChem CID 17290789) has the molecular formula C16H19Cl2NO and a molecular weight of 312.24 g/mol. Its IUPAC name is N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride.

Molecular Properties

Compound NameN-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
PubChem CID17290789
Molecular FormulaC16H19Cl2NO
Molecular Weight312.24 g/mol
Exact Mass311.08
IUPAC NameN-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
SMILESCCNCc1cccc(OCc2ccccc2Cl)c1.Cl
InChIInChI=1S/C16H18ClNO.ClH/c1-2-18-11-13-6-5-8-15(10-13)19-12-14-7-3-4-9-16(14)17;/h3-10,18H,2,11-12H2,1H3;1H
InChIKeyHCRZVSBODZWBMJ-UHFFFAOYSA-N
XLogP4.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine;hydrochloride
CID 17290892
1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
CID 17290694
N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291308
2-[[3-[(2-chlorophenyl)methoxy]phenyl]methylamino]acetic acid
CID 66527638
N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 4721454
N',N'-dibutyl-N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]propane-1,3-diamine;dihydrochloride
CID 17214557
2-[[3-[(2-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 4716036
1-chloro-2-[[3-(chloromethyl)phenoxy]methyl]benzene
CID 29299545
1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 38057973
N-[[4-[(2-chlorophenyl)methoxy]-2-pyridinyl]methyl]ethanamine
CID 62290868
N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine
CID 4716490
[3-(ethylaminomethyl)phenyl] hypochlorite
CID 163518139

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride?
The IUPAC name of N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride (CID 17290789) is N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride.
What is the SMILES notation for N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride?
The canonical SMILES for N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride is CCNCc1cccc(OCc2ccccc2Cl)c1.Cl.
What is the InChIKey of N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride?
The InChIKey is HCRZVSBODZWBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO.ClH/c1-2-18-11-13-6-5-8-15(10-13)19-12-14-7-3-4-9-16(14)17;/h3-10,18H,2,11-12H2,1H3;1H.
What are the key properties of N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride?
N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride has a molecular weight of 312.24 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride is sourced from PubChem (CID 17290789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).